Molecule
ID:25811
General Information
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-9(12)11-10/h2-8,10H2,1H3,(H,11,12)
InChIKey
HMYRUXBSDBAVNN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)NN
Isomeric Smiles
C(=O)(NN)CCCCCCCC
Calculated Properties
JChem
Acid pKa
13.615824
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0386305
LogD (pH = 7.4)
2.0411513
Log P
2.0411837
Molar Refractivity
51.1829
Polarizability
19.939974
Polar Surface Area
55.12
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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